2,2-difluoro-N-imidazo[1,2-a]pyrimidin-2-yl-1-(oxan-4-yl)cyclopropane-1-carboxamide

C15H16F2N4O2 — CID 166304538

IUPAC2,2-difluoro-N-imidazo[1,2-a]pyrimidin-2-yl-1-(oxan-4-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cn2cccnc2n1)C1(C2CCOCC2)CC1(F)F
InChIInChI=1S/C15H16F2N4O2/c16-15(17)9-14(15,10-2-6-23-7-3-10)12(22)19-11-8-21-5-1-4-18-13(21)20-11/h1,4-5,8,10H,2-3,6-7,9H2,(H,19,22)
InChIKeyKELIQOFLPRXCCF-UHFFFAOYSA-N
MW322.31 g/mol
LogP2.12
Rot. Bonds3

About 2,2-difluoro-N-imidazo[1,2-a]pyrimidin-2-yl-1-(oxan-4-yl)cyclopropane-1-carboxamide

2,2-difluoro-N-imidazo[1,2-a]pyrimidin-2-yl-1-(oxan-4-yl)cyclopropane-1-carboxamide (PubChem CID 166304538) has the molecular formula C15H16F2N4O2 and a molecular weight of 322.31 g/mol. Its IUPAC name is 2,2-difluoro-N-imidazo[1,2-a]pyrimidin-2-yl-1-(oxan-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-N-imidazo[1,2-a]pyrimidin-2-yl-1-(oxan-4-yl)cyclopropane-1-carboxamide
PubChem CID166304538
Molecular FormulaC15H16F2N4O2
Molecular Weight322.31 g/mol
Exact Mass322.12
IUPAC Name2,2-difluoro-N-imidazo[1,2-a]pyrimidin-2-yl-1-(oxan-4-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cn2cccnc2n1)C1(C2CCOCC2)CC1(F)F
InChIInChI=1S/C15H16F2N4O2/c16-15(17)9-14(15,10-2-6-23-7-3-10)12(22)19-11-8-21-5-1-4-18-13(21)20-11/h1,4-5,8,10H,2-3,6-7,9H2,(H,19,22)
InChIKeyKELIQOFLPRXCCF-UHFFFAOYSA-N
XLogP2.12
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-imidazo[1,2-a]pyrimidin-2-yl-1-(oxan-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-difluoro-N-imidazo[1,2-a]pyrimidin-2-yl-1-(oxan-4-yl)cyclopropane-1-carboxamide (CID 166304538) is 2,2-difluoro-N-imidazo[1,2-a]pyrimidin-2-yl-1-(oxan-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-difluoro-N-imidazo[1,2-a]pyrimidin-2-yl-1-(oxan-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-difluoro-N-imidazo[1,2-a]pyrimidin-2-yl-1-(oxan-4-yl)cyclopropane-1-carboxamide is O=C(Nc1cn2cccnc2n1)C1(C2CCOCC2)CC1(F)F.
What is the InChIKey of 2,2-difluoro-N-imidazo[1,2-a]pyrimidin-2-yl-1-(oxan-4-yl)cyclopropane-1-carboxamide?
The InChIKey is KELIQOFLPRXCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O2/c16-15(17)9-14(15,10-2-6-23-7-3-10)12(22)19-11-8-21-5-1-4-18-13(21)20-11/h1,4-5,8,10H,2-3,6-7,9H2,(H,19,22).
What are the key properties of 2,2-difluoro-N-imidazo[1,2-a]pyrimidin-2-yl-1-(oxan-4-yl)cyclopropane-1-carboxamide?
2,2-difluoro-N-imidazo[1,2-a]pyrimidin-2-yl-1-(oxan-4-yl)cyclopropane-1-carboxamide has a molecular weight of 322.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-imidazo[1,2-a]pyrimidin-2-yl-1-(oxan-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 166304538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).